2-[4-[(2-butyl-7-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-2-propyl-phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[(2-butyl-7-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-2-propyl-phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(2-butyl-7-methyl-4-oxo-quinazolin-3-yl)methyl]-2-propyl-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[(2-butyl-7-methyl-4-oxo-3-quinazolinyl)methyl]-2-propylphenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[(2-butyl-7-methyl-4-oxoquinazolin-3-yl)methyl]-2-propylphenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[(2-butyl-4-keto-7-methyl-quinazolin-3-yl)methyl]-2-propyl-phenoxy]-2-phenyl-acetic acid Formula: C31H34N2O4 MolecularWeight: 498.61266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2)C)C(=O)N1CC3=CC(=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)CCC

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2)C)C(=O)N1CC3=CC(=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)CCC

InChI

InChI=1S/C31H34N2O4/c1-4-6-13-28-32-26-18-21(3)14-16-25(26)30(34)33(28)20-22-15-17-27(24(19-22)10-5-2)37-29(31(35)36)23-11-8-7-9-12-23/h7-9,11-12,14-19,29H,4-6,10,13,20H2,1-3H3,(H,35,36)